smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1	ZINC000216949312	557165073	/nfs/dbraw/zinc/16/50/73/557165073.db2.gz	KWWCKHNBWCMLSF-UHFFFAOYSA-N	1	0	443.396	4.086	40	70		IIIBRO
COCCn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21	ZINC000218015561	557175757	/nfs/dbraw/zinc/17/57/57/557175757.db2.gz	VUYZOZQGGDWSIQ-JWVZEJEHSA-N	1	0	447.623	4.252	40	70		IIIBRO
O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000218611174	557209951	/nfs/dbraw/zinc/20/99/51/557209951.db2.gz	ONRKHNXGOKJIQG-UHFFFAOYSA-N	1	0	441.329	4.025	40	70		IIIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)c3ccc(I)cc3)cc2)CC1	ZINC000216931911	557162471	/nfs/dbraw/zinc/16/24/71/557162471.db2.gz	JRLLNTRZBOVDCA-UHFFFAOYSA-N	1	0	436.293	4.017	40	70		IIIBRO
COc1cccc2c1ccn2CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218053690	557176111	/nfs/dbraw/zinc/17/61/11/557176111.db2.gz	ACPVXEYCFGHXGP-MQHKMBAJSA-N	1	0	433.596	4.462	40	70		IIIBRO
Cc1cc(OCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1Br	ZINC000216950392	557165348	/nfs/dbraw/zinc/16/53/48/557165348.db2.gz	AESDMTFNCUWDFX-UHFFFAOYSA-N	1	0	433.346	4.248	40	70		IIIBRO
C[NH+]1CCC(Oc2ccc(NC(=O)c3ccccc3I)cc2)CC1	ZINC000216932021	557162369	/nfs/dbraw/zinc/16/23/69/557162369.db2.gz	JADYSTYNOLESND-UHFFFAOYSA-N	1	0	436.293	4.017	40	70		IIIBRO
COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)[nH]n1	ZINC000217950513	557175025	/nfs/dbraw/zinc/17/50/25/557175025.db2.gz	PTXIOAJNXSNJKH-DDOGDFNNSA-N	1	0	432.568	4.121	40	70		IIIBRO
C[NH+]1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1	ZINC000216948490	557165101	/nfs/dbraw/zinc/16/51/01/557165101.db2.gz	QFBFJJDKGAMYBI-UHFFFAOYSA-N	1	0	429.369	4.408	40	70		IIIBRO
CC(C)c1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)cc1	ZINC000217566465	557171540	/nfs/dbraw/zinc/17/15/40/557171540.db2.gz	LLLHJQXFZNAVMJ-HWHXTQLESA-N	1	0	433.596	4.386	40	70		IIIBRO
CCOc1ccc(CCC(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)cc1OCC	ZINC000217021125	557166750	/nfs/dbraw/zinc/16/67/50/557166750.db2.gz	CFDHDXSCUFHQCJ-UHFFFAOYSA-N	1	0	440.584	4.206	40	70		IIIBRO
COc1ccccc1-c1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)[nH]n1	ZINC000217950431	557175201	/nfs/dbraw/zinc/17/52/01/557175201.db2.gz	PTXIOAJNXSNJKH-IMVQFDEQSA-N	1	0	432.568	4.121	40	70		IIIBRO
COCCn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21	ZINC000218015625	557175823	/nfs/dbraw/zinc/17/58/23/557175823.db2.gz	VUYZOZQGGDWSIQ-XMQYJYNESA-N	1	0	447.623	4.252	40	70		IIIBRO
O=C(NCc1nc(-c2cccs2)no1)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000218078587	557176788	/nfs/dbraw/zinc/17/67/88/557176788.db2.gz	KLYCACJMBBBMMF-UHFFFAOYSA-N	1	0	430.533	4.286	40	70		IIIBRO
COc1ccc(S(=O)(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)c(Cl)c1Cl	ZINC000216938427	557163822	/nfs/dbraw/zinc/16/38/22/557163822.db2.gz	XGPHKHCMGMCROD-UHFFFAOYSA-N	1	0	445.368	4.276	40	70		IIIBRO
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1	ZINC000216948400	557165122	/nfs/dbraw/zinc/16/51/22/557165122.db2.gz	GKWLKMZJMGFFRL-UHFFFAOYSA-N	1	0	443.396	4.086	40	70		IIIBRO
C[NH+]1CCC(Oc2ccc(CNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)cc2)CC1	ZINC000216948518	557165110	/nfs/dbraw/zinc/16/51/10/557165110.db2.gz	ISEAPORMPBJVMI-UHFFFAOYSA-N	1	0	443.396	4.086	40	70		IIIBRO
COc1cccc2c1ccn2CCC(=O)N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218053619	557176120	/nfs/dbraw/zinc/17/61/20/557176120.db2.gz	ACPVXEYCFGHXGP-VBXWPYOKSA-N	1	0	433.596	4.462	40	70		IIIBRO
C[NH+]1CCC(Oc2ccc(NS(=O)(=O)Cc3ccc(Cl)cc3Cl)cc2)CC1	ZINC000216948372	557165063	/nfs/dbraw/zinc/16/50/63/557165063.db2.gz	WFZIFSZHEBVHSL-UHFFFAOYSA-N	1	0	429.369	4.408	40	70		IIIBRO
C[NH+]1CCC(Oc2ccc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)cc2)CC1	ZINC000216949284	557165016	/nfs/dbraw/zinc/16/50/16/557165016.db2.gz	LLMDQXPMNWUKEA-UHFFFAOYSA-N	1	0	429.369	4.408	40	70		IIIBRO